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SMILES: CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23

InChI Key: InChIKey=ROQYSCDOJUQZFY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM374718
PNG
(14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...)
Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0860n/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q20P12B6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM374718
PNG
(14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...)
Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 3.70n/an/an/an/an/a



Turning Point Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...


US Patent US10618912 (2020)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM374718
PNG
(14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...)
Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.0860n/an/an/an/an/a



Turning Point Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...


US Patent US10618912 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM374718
PNG
(14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...)
Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 3.70n/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q20P12B6
More data for this
Ligand-Target Pair